Input 22-td_move_ions_periodic.01-gs.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Initial energy | -2.965691066000000e+01 | -2.965691066000000e+01 | 1.480000000000000e-07 | 0.000000000000000e+00 | PASS |